2-phenoxyethyl 2-[1-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-phenoxyethyl 2-[1-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 2-[1-[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[1-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid 2-phenoxyethyl ester Formula: C26H31BrN2O6 MolecularWeight: 547.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C26H31BrN2O6/c1-26(2,3)20-15-18(27)9-10-22(20)35-17-23(30)29-12-11-28-25(32)21(29)16-24(31)34-14-13-33-19-7-5-4-6-8-19/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,28,32)